REMARK  Name = BDB057985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.935   0.632  -2.457  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1        0.449   0.472  -2.376  0.00  0.00    -0.231 N 
ATOM      3  N   LIG    1        1.034   0.750  -3.573  0.00  0.00    -0.159 NA
ATOM      4  C   LIG    1        0.068   1.214  -4.375  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1       -1.179   1.164  -3.711  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.911  -0.446   0.414  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.127  -1.427  -0.200  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.151  -1.081  -1.138  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.937   0.261  -1.464  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.728   1.244  -0.859  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.706   0.892   0.081  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1       -4.817  -0.931   1.312  0.00  0.00    -0.489 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -5.153   0.567   3.187  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -5.755  -0.037   1.921  0.00  0.00    +0.167 C 
ATOM     15  C   LIG    1       -6.986  -0.868   2.274  0.00  0.00    +0.051 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.288   0.093  -1.278  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        0.834   0.063   0.046  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        1.697  -0.313   1.082  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        3.026  -0.635   0.812  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        3.492  -0.613  -0.501  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        2.632  -0.237  -1.538  0.00  0.00    +0.031 A 
BRANCH  19  22
ATOM     22  O   LIG    1        3.802  -1.026   1.878  0.00  0.00    -0.456 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.077  -0.514   1.957  0.00  0.00    +0.128 A 
ATOM     24  C   LIG    1        6.102  -1.411   2.261  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        7.413  -0.952   2.388  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.695   0.406   2.227  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.666   1.305   1.946  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.353   0.848   1.819  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   2  16
BRANCH   4  29
ATOM     29  C   LIG    1        0.357   1.672  -5.747  0.00  0.00    +0.357 C 
ATOM     30  O   LIG    1        1.458   2.035  -6.140  0.00  0.00    -0.243 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -0.716   1.670  -6.590  0.00  0.00    -0.476 OA
ATOM     32  H   LIG    1       -1.499   1.231  -6.216  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 8